2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide

C15H18N2O2 — CID 173232405

IUPAC2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESNC(=O)C1c2ccccc2CCN1C(=O)C1CCC1
InChIInChI=1S/C15H18N2O2/c16-14(18)13-12-7-2-1-4-10(12)8-9-17(13)15(19)11-5-3-6-11/h1-2,4,7,11,13H,3,5-6,8-9H2,(H2,16,18)
InChIKeyHGFJMFLLULJFPX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.40
Rot. Bonds2

About 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 173232405) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID173232405
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESNC(=O)C1c2ccccc2CCN1C(=O)C1CCC1
InChIInChI=1S/C15H18N2O2/c16-14(18)13-12-7-2-1-4-10(12)8-9-17(13)15(19)11-5-3-6-11/h1-2,4,7,11,13H,3,5-6,8-9H2,(H2,16,18)
InChIKeyHGFJMFLLULJFPX-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-acetylpyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232723
2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232200
2-[(3S)-piperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 81133703
cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400666
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
N-(cyclohexylmethyl)-2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53167592
2-(4-methyl-2-oxopentanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232159
cyclopropanecarbonyl chloride;methyl 2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 134330958
2-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212817
cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone
CID 142769016
2-(1-ethylsulfonylpiperidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212681
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 173232405) is 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide is NC(=O)C1c2ccccc2CCN1C(=O)C1CCC1.
What is the InChIKey of 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is HGFJMFLLULJFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-14(18)13-12-7-2-1-4-10(12)8-9-17(13)15(19)11-5-3-6-11/h1-2,4,7,11,13H,3,5-6,8-9H2,(H2,16,18).
What are the key properties of 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 173232405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).